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3-Rha-7-Rha Kaempferol (NMR)

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001025

Dataset description:

This MassBank record with Accession MSBNK-BS-BS001025 contains the MS2 mass spectrum of 3-Rha-7-Rha Kaempferol (NMR) with the InChIkey PUPKKEQDLNREIM-QNSQPKOQSA-N.

Source: 3-Rha-7-Rha Kaempferol (NMR)

Chemical Info

molecular Image

InChI	InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
InChI Key	PUPKKEQDLNREIM-QNSQPKOQSA-N
Molecular Formula	C27H30O14
Exact Mass	578.164 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
Id	4381c405-b6a8-4275-81f9-418dec96b0ce
Package id	msbnk-bs-bs001025
Resource type	HTML
State	active